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1.
Sreesha Sasi M. R. Prathapachandra Kurup E. Suresh 《Journal of chemical crystallography》2007,37(1):31-36
The cobalt(III) complex, [Co(L)2(N3)2]2(ClO4)2, L being a Schiff base N-[phenyl(pyridin-2-yl)methylene]aniline has been synthesized and the crystal structure determined using X-ray crystallography.
The complex crystallizes in triclinic system, space group P-1 with unit cell parameters a=10.9367(9) ?, b=18.0817(17) ?, c=20.1629(16) ?, α=111.341(2)°, β=91.622(2)°, γ=107.5030(10)°, V=3499.1(5) ?3 and Z=2. It crystallizes with two independent molecules in the asymmetric unit. The two cobalt atoms are hexa-coordinate and have
a distorted octahedral geometry, satisfied by four nitrogen atoms from two molecules of the Schiff base and two nitrogen atoms
from the monodentate azide group. The perchlorate ions are non-coordinating. 相似文献
2.
Abstract The crystal structures of (2-oxo-2H-quinaxalin-1-yl)-acetic acid and its cobalt and nickel complexes are determined. The (2-oxo-2H-quinaxalin-1-yl)-acetic
acid (1) crystallizes in orthorhombic, Pbca, a = 12.8571(11) ?, b = 9.4267(8) ?, c = 15.0095(13) ?, the cobalt complex of (2-oxo-2H-quinaxalin-1-yl)-acetic acid (2) crystallizes as dihydrate in triclinic, P-1 space group with a = 4.81150(10) ?, b = 11.8631(2) ?, c = 12.4867(3) ?, α = 71.7800(10)°, β = 79.2490(10)°, γ = 84.9020(10)° whereas the nickel complex of (2-oxo-2H-quinaxalin-1-yl)-acetic
acid (3) crystallizes in monoclinic, P21/c space group with a = 14.9210(5) ?, b = 4.81730(10) ?, c = 15.7672(5) ?. and β = 99.823(2)°. The crystal structure of the ligand and the complexes are compared with structures of
(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid and its cobalt and nickel complexes.
Index Abstract The crystal structures of (2-oxo-2H-quinaxalin-1-yl)-acetic acid and its nickel and cobalt complexes are compared with (1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic
acid and its corresponding complexes with nickel(II) and cobalt(II).
相似文献
3.
Yu Wang Christopher G. F. Cooper Brian S. Luisi Brian Moulton John C. MacDonald 《Journal of chemical crystallography》2007,37(4):299-308
Reaction of 1,2-bis(2,6-dicarboxypyridin-4-yl)ethyne and imidazole with Cu(II) produces crystals containing a discrete complex
of [μ-4,4′-(1,2-ethynediyl)-bis(pyridine-2,6-dicarboxylato)-N, O, O′-μ-N′, O′′, O′′′]-diaqua-bis(imidazole)-dicopper(II) complex
(1), [(C16H4N2O8)(C3H4N2)2(H2O)2Cu2] instead of a linear coordination polymer. The complex crystallizes in the monoclinic space group P21/n with a = 5.3763(8) ?, b = 18.522(3) ?, c = 11.4827(7) ?, β = 93.705(3) ° and Z = 2. The complex sits on a center of symmetry such that the two halves of the molecule are related by inversion symmetry.
The molecules pack in layers in which the molecules are joined by intermolecular N–H⋯O hydrogen bonds between imidazole and
carboxylate groups and O–H⋯O hydrogen bonds between carboxylate groups and water. 相似文献
4.
Miguel Guerrero Josefina Pons Mercè Font-Bardia Teresa Calvet Josep Ros 《Journal of chemical crystallography》2011,41(5):721-726
Abstract
The crystal structure of the title compound C22H30N4O2·H2O (L), has been determined using X-ray diffraction at 293 K. The crystal of 1,2-bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene is in triclinic crystal system with space group P(−1) (Z = 2), lattice parameters a = 8.225(6) ?, b = 10.967(6) ?, c = 12.903(6) ?, V = 1119.1(11) ?3. Analyses of single crystals of L, crystallized from dichloromethane/diethyl ether (1:1), revealed that the molecules are arranged in couples, which adopt a pseudo chair conformation, by means of intermolecular O–H···N hydrogen bonding interactions. Moreover, the extended structure revealed a 1D chain caused by several C–H···N intermolecular interactions. 相似文献5.
K. Ravikumar B. Sridhar M. Mahesh V. V. Narayana Reddy 《Journal of chemical crystallography》2006,36(6):381-387
The crystal structures of isoxazole, 3-[[dihydro-2-[(Z)-2-oxohyrazono]-1H-imidazol-1-(3H)-yl]methyl-5-phenyl-,N-oxide] (C13H13N5O3) (I), isoxazole,3-[[dihydro-2-[(Z)-2-oxohyrazono]-1H-imidazol-1-(3H)-yl]-methyl-5-(4-methylphenyl)-,N-oxide] (C14H15N5O3) (II) and isoxazole, 3-[[dihydro-2-[(Z)-2-oxohyrazono]-1H-imidazol-1-(3H)-yl]-methyl-5-(2-methoxyphenyl)-,N-oxide] (C14H15N5O4) (III) have been determined by X-ray diffraction studies. The compound I, crystallized in triclinic space group with unit cell dimensions a = 7.2405(7) ?, b = 7.9936(8) ?, c = 11.6573(11) ?, α = 97.801(2)°, β = 90.884(2)°, γ = 96.250(2)° and Z = 2. Compound II crystallized in orthorhombic space group Pna21 with unit cell dimensions a = 10.1778(10) ?, b = 28.228(3) ?, c = 5.1206(5) ?, and Z = 4. Compound III crystallized in monoclinic space group P21/n with unit cell dimensions a = 7.8439(9) ?, b = 7.8544(9) ?, c = 23.534(3) ?, β = 99.464(2)° and Z = 4. For all three compounds, the five-membered imidazolidine ring adopts an envelope conformation. The crystal structures are stabilized by both the intramolecular N–H···O and intermolecular N–H···N hydrogen bonding. 相似文献
6.
Dorothy H. Gibson Jianguo Wu Jose G. Andino Mark S. Mashuta 《Journal of chemical crystallography》2006,36(11):769-775
The first titled compound, 1, was obtained by treating [Ru(bpy)(η2-tpy)(CO)CH2OH]PF6 with acetic anhydride. Heating 1 in acetonitrile afforded 2, [Ru((η3-tpy)(MeCN)(CO) CH2OAc]PF6. Allowing 2 to stand in CH2Cl2 followed by concentration and precipitation afforded the second titled compound, 3 ([Ru((η3-tpy)(CO)–CH2OAc]PF6), in which the acetoxymethyl group had become bidentate. Crystal data for 1, monoclinic crystal system, space group C2/c, a=26.001(4) ?, b=13.0395(18) ?, c=20.718(3) ?, β=107.700(2)°, V=6691.7(16) ?3, Z=8; for 3, monoclinic crystal system, space group P21/n, a=10.864(2) ?, b=16.922(4) ?, c=11.127(2) ?, β=90.907(3)°, V=2045.4(8) ?3, Z=4. 相似文献
7.
Sarah Holzer Frank R. Fronczek Victor G. Young Jr. Stephen Fox 《Journal of chemical crystallography》2006,36(12):883-889
The molecular bis(2-N-H-pyrrolylcarbaldimine)nickel(II) and palladium(II) complexes are isolated in moderate yield (30–35%) from in situ assembly of the Schiff base with metal(II) salt, base, and pyrrole-2-carbaldehyde in aqueous ammonia solution. The nickel(II) complex, 1, is monoclinic, space group P21/c, with a=11.289(6) ?, b=5.611(3) ?, c=8.287(5) ?, β=111.620(6)°, and V=488.0(5) ?3 with Z=2, for d
calc=1.667 Mg/m3. The palladium analog, 2, is isomorphous, space group P21/c, with a=11.481(3) ?, b=5.5738(10) ?, c=8.276(2) ?, β=110.923(12)°, and V=494.7(2) ?3 with Z=2, for d
calc=1.965 Mg/m3. In both crystal structures, the metal resides on an inversion center. In the IR spectra, ν(C=N) appears at 1561 cm−1 in 1, and 1557 cm−1 in 2, while ν(N–H) shows at 3345 cm−1 and 3335 cm−1, respectively. The 1H-nmr spectra reveal the C–H and N–H protons of the imine group as sharp and broad doublets, respectively, at 7.62 and 8.38 δ in 1 and at 7.92 and 9.73 δ in 2. 相似文献
8.
Jesús Valdés-Martínez Manuel Rubio Raul Cetina Rosado Javier Salcedo-Loaiza Rubén A. Toscano Georgina Espinosa-Pérez Simón Hernandez-Ortega Klaus Ebert 《Journal of chemical crystallography》1994,27(11):627-634
The crystal structure of 5-methyl-acetophenonethiosemicarbazone monohydrate,A, and salicylaldehyde-2-methylthiosemicarbazone monohydrate,B, were determined using single crystal X-ray diffraction.A crystallizes in the monoclinic space groupC2/c, with lattice parametersa=14.161(2),b=15.753(1) ?,c=11.084(1) ?, β=112.59(1)° andZ=4, yielding a calculated density ofD
calc=1.352 mg/m3.B crystallizes in the triclinic space groupP1, witha=7.233(2) ?,b=7.371(2) ?,c=11.841(2) ?, α=82.77(2)°, β=78.33(2)°, γ=63.06(2)° andD
calc=1.371 mg/m3 forZ=2,. In bothA andB the immine nitrogen and the sulfur atom areanti with respect to N2-C8. WhileA presents the usual intramolecular six membered hydrogen bond ring,B has instead an intermolecular hydrogen bond between the hydroxy moiety of the salicyladehyde and a water molecule. AM1 calculations
agree with the experimental conformations observed in both compounds.
Contribution No. 1619 of the Instituto de Química, UNAM. 相似文献
9.
Xiang-Shan Wang Zhao-Sen Zeng Da-Qing Shi Shu-Jiang Tu Xian-Yong Wei Zhi-Min Zong 《Journal of chemical crystallography》2006,36(11):697-701
The crystal structure of 2-amino-3-cyano-4,6-dihydro-4-(3-nitrophenyl)-5H-pyrano[3,2-c]quinolin-5-one N,N-dimethylformamide solvate monohydrate is determined by room temperature X-ray diffraction. The title compound 1, C22H21N5O6, is triclinic, space group P-1, a=9.109(2) ?, b=11.340(2) ?, c=12.485(2) ?, α=70.02(1)°, β=69.36(1)°, γ=67.32(1)°, Z=2, V=1081.4(4) ?3. It is interesting that a bridge-like hydrogen bond O–H···O is formed between the title compound and solvent molecules of water with molecular ratio of 2:2 building a bi-layer framework. In addition, there are two other types of classical hydrogen bonds N–H···N and N–H···O in the crystal structure.Supplementary material Crystallographic data for the structure reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-275001. Copies of available material can be obtained, free of charge, on application to the Director, CCDC, 12 Union Road, Cambridge CB2 1EZ, UK, (fax: +44-(0) 1223–336033 or e-mail: deposit@ccdc.cam.ac.uk). 相似文献
10.
Zhong-Hai Ni Hui-Zhong Kou Li-Fang Zhang Chunhua Ge Ru-Ji Wang Ai-Li Cui 《Journal of chemical crystallography》2006,36(8):465-472
Two new Cr(III) complexes, [Cr(bpb)(H2O)(OH)]·3H2O (1) and [Cr(bpb)(H2O)(N3)]·H2O (2) have been synthesized and structurally characterized. Both complexes were unexpectedly obtained as single crystals during the reactions of [Cr(bpb)(CN)2]− or [Cr(bpb)(N3)2]− with [Ni(L)](ClO4)2 (L = 3,10-dimethyl-1,3,6,8,10,12-hexaazacyclotetradecane) or MX2·nH2O (M = Cu, Ni and Mn, X = Cl− and ClO4
−). Complex 1 crystallizes in the triclinic system, space group P-1, formula CrC18H21N4O7 with a = 7.1543(17) ?, b = 12.420(3) ?, c = 12.955(3) ?, α = 115.021(5)°, β = 95.544(5)°, and γ = 101.575(5)°. Complex 2 crystallizes in the monoclinic system, space group P21/c, formula CrC18H16N7O4 with a = 11.7171(9) ?, b = 9.4999(7) ?, c = 16.8799(13) ?, and β = 97.449(2)°. Both complexes exhibit distorted octahedral coordination environment with four nitrogen atoms of bpb2− situated at the equatorial plane (Cr–N bond distances range from 1.961(3) to 2.1088(15) ?), and the remaining two trans-positions occupied by terminal ligands H2O/HO and H2O/N3 in 1 and 2, respectively. It is noteworthy that a hydrogen-bonded folded ladder-like structure involving twelve O atoms in 1 and a chair-like hexagonal hydrogen-bonded cluster containing six O atoms are formed. 相似文献
11.
Structure of 2-(1-phenylimidiazolidin-2-ylidene)- malononitrile and 2-(hexahydropyrimidinyl-2-ylidene)- malononitrile 总被引:1,自引:0,他引:1
Yin-Xiang Lu Hui Zhou Peng Guo Lan Jin Wei Xu 《Journal of chemical crystallography》2006,36(10):691-695
The crystal structure of 2-(1-phenylimidazolidin-2-ylidene)-malononitrile, I, and 2-(hexahydropyrimidin-2-ylidene)-malononitrile, II, were determined with crystal data (I: Monoclinic, P21/n, a=8.116(3) ?, b=7.650(3) ?, c=17.399(7) ?, β=93.065(6)°, R
all=0.0980; II: Monoclinic, P21/n, a=9.169(2) ?, b=8.103(2) ?, c=10.337(3) ?, β=99.853(4)°, R
all=0.0877). N−H···N hydrogen bonds were responsible for the formation of centrosymmetric dimers of I and one-dimensional zigzag molecular chains of II. 相似文献
12.
Vanessa Renee Little Hilary Jenkins Keith Vaughan 《Journal of chemical crystallography》2008,38(6):447-452
Abstract The crystal structures of methyl 4-{(E)-2-(4-methylpiperazino)-1-diazenyl}benzoate (2a) and 1,4-di[(E)-2-(2-nitrophenyl)-1-diazenyl]piperazine (3a) have been determined by single crystal X-ray diffraction analysis. The bis-triazene (3a) adopts an unusual pseudo-boat conformation in the piperazine ring, with a dihedral angle of 52.20(0.06)° between the two
planes defined within the piperazine ring. The crystal structures of 2a and 3a are compared with the structure of the triazene (4) and the closely related bis-triazene (5). The piperazine ring of 2a adopts a typical chair conformation, whereas the piperazine ring of 3a adopts an unusual boat conformation. Crystal data: 2a C13H18N4O2, monoclinic, space group P21
/n, a = 13.849(3) ?, b = 6.577(1) ?, c = 14.904(3) ?, α = 90°, β = 96.098(3)°, γ = 90° and V = 1,349.8(4) ?3, for Z = 4. 3a C16H16N8O4, triclinic, space group P-1, a = 7.6066(6) ?, b = 8.3741(7) ?, c = 14.507(1) ?, α = 78.673(1)°, β = 81.877(1)°, γ = 73.445(1)° and V = 865.0(1) ?3, for Z = 2.
Index abstract
The crystal structures of methyl 4-{(E)-2-(4-methylpiperazino)-1-diazenyl}benzoate (2a) and 1,4-di[(E)-2-(2-nitrophenyl)-1-diazenyl]piperazine (3a) have been determined by single crystal X-ray diffraction analysis. 相似文献
13.
Sheng-Li Cao Jie Zhao Nan Zhang Yue Wang Yu-Yang Jiang Yu-Ping Feng 《Journal of chemical crystallography》2011,41(10):1456-1460
Abstract
The title compounds, 4-(3-nitropyridin-2-ylamino)phenol (I) and 4-(3-aminopyridin-2-ylamino)phenol (II), are two intermediates for the synthesis of a potential antitumor agent ABT-751. The reaction of 4-aminophenol with 2-chloro-3-nitropyridine yielded I which was converted into II by reduction. Instead of the Pd/C catalytic hydrogenation described in many literature, reduction with cheap sodium sulfide in aqueous media was utilized for shorting the reaction time and simplifying the operation. The crystal structures of the resultant compounds were determined by single-crystal X-ray diffraction. The compound I is crystallized in P21/c space group of monoclinic system, with a = 11.5236(19) ?, b = 8.7389(17) ?, c = 10.684(3) ? and α = 90.00°, β = 107.76(3)°, γ = 90.00°. The compound II is crystallized in Cc space group of monoclinic system, with a = 10.688(2) ?, b = 14.2181(18) ?, c = 7.9836(15) ? and α = 90.00°, β = 125.801(7)°, γ = 90.00°. In both crystal structures, the intermolecular N–H–O and O–H–N hydrogen bonds link the molecules, which effectively stabilize the structures. 相似文献14.
Irena Ćaleta Dominik Cinčić Grace Karminski-Zamola Branko Kaitner 《Journal of chemical crystallography》2008,38(10):775-780
Abstract Two novel benzothiazoles 2-chloro-N-(benzothiazol-2-yl)benzamide (1) and 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide (2) were obtained in multistep synthesis. They were characterised by means of IR, 1H- and 13C-NMR spectroscopy and also by single-crystal X-ray diffraction. The compound 1 crystallises with triclinic space group P
, a = 9.5923(8) ?, b = 9.8583(8) ?, c = 13.8962(10) ?, α = 89.162(6)°, β = 77.741(7)°, γ = 80.064(7)°, V = 1264.5(2) ?3, Z = 4 and compound 2 crystallises as methanol solvate with monoclinic space group P 21/n, a = 7.5093(9) ?, b = 13.0211(14) ?, c = 16.032(2) ?, β = 92.717(10)°, V = 1565.9(3) ?3, Z = 4. Both crystal structures consist of discrete dimers connected into a three-dimensional network by intermolecular C–H···O
and C–H···X (X = Cl or S) hydrogen bonds and by face-to-face π–π stacking interactions.
Index Abstract The synthesis and structure of two novel N-(benzothiazol-2-yl)benzamides. Irena Ćaleta, Dominik Cinčić, GraceKarminski-Zamola and Branko Kaitner. Hydrogen bonds and
π–π interactions in N-(benzothiazol-2-yl)benzamides N-(benzothiazol-2-yl)benzamides.
相似文献
15.
Mino R. Caira Ayesha Jacobs Luigi R. Nassimbeni Fumio Toda 《Journal of chemical crystallography》2006,36(7):435-443
The title compound 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol (H) forms inclusion compounds with benzene, toluene and mesitylene. H·C6H6 (1) and H·C7H8 (2) crystallize in the triclinic space group P(-1) with unit cell dimensions for 1: a = 13.001(3) ?, b = 15.284(3) ?, c = 16.744(3) ?, α = 99.26(3)°, β = 74.78(3)°, γ = 64.96(3)°, Z = 4 and for 2: a = 12.922(3) ?, b = 15.159(3) ?, c = 16.562(3) ?, α = 68.12(3)°, β = 73.99(3)°, γ = 66.00(3)°, Z = 4. The hydroxyl groups of adjacent host molecules are involved in hydrogen bonding. H·C9H12 (3) exhibits a different packing arrangement with weak hydrogen bonding between the hydroxyl hydrogen of the host and the phenyl ring of the guest. The crystal system of compound 3 is monoclinic with space group C2/c, a = 23.750(5) ?, b = 8.4746(17) ?, c = 17.760(4) ?, α = 90°, β = 123.40(3)°, γ = 90°, Z = 4. The thermal behaviour of these compounds has also been studied. 相似文献
16.
Yonghong Liu Xiangqian Dai Xiaolan Liu Wei Xu Rong Guo 《Journal of chemical crystallography》2008,38(2):109-113
Abstract The title compound, 2-Ferrocenylmethylidenehydrazono-1,3-dithiolane was synthesized by ferrocene- carboxaldehyde with 2-hydrazono-1,3-dithiolane
and characterized by elemental analysis, 1H NMR, IR, UV-Vis and single crystal XRD. The crystal belongs to orthorhombic, space group Fdd2 with unit cell parameters a = 27.487(4) ?, b = 35.239(6) ?, c = 6.0517(9) ?, V = 5861.7(16) ?3, Z = 16, Dc = 1.497, Mr = 330.24, μ = 1.300 mm−1, F(000) = 2720, R
1
= 0.0413, and wR
2
= 0.0753. The molecule is the anti-rotamer of the trans-isomer and every molecule joins each other to a zig-zag chain through
the intermolecular unclassical hydrogen-bonds of C(7)–H(7)···N(1) (3.449(8) ?, 172°). Further every chain self-assembles into
a three-dimensional networking structure via another intermolecular unclassical hydrogen-bonds of C(1)–H(1A)···π/Cg (3.597(7) ?,
143°) and the weak inter molecular interaction forces of C(4)–H(4)···S(1) (3.742(7) ?, 139°) and C(14)–H(14)···H(6) (3.080(7) ?,
134°).
Graphical Abstract
Synthesis and Structure of 2-Ferrocenylmethylidenehydrazono-1,3-dithiolane
Yonghong Liu, Xiangqian Dai, Xiaolan Liu, Wei Xu, and Rong Guo
College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, P.R. China
The title compound was synthesized and characterized by elemental analysis, 1H NMR, 13C NMR, IR, UV-Vis and single crystal
XRD.
相似文献
17.
Dennis W. Bennett Tasneem A. Siddiquee Daniel T. Haworth Subhabrata Chaudhury William A. Donaldson 《Journal of chemical crystallography》2006,36(11):777-780
The X-ray crystal structure of the title compound, as crystallized from acetonitrile-water was determined. The relative stereochemistry of the cyclohexenone ring with respect to the 8-phenylmenthyl esters was determined. The title compound crystallizes in the noncentrosymmetric space group P21, with a=8.9850(10) ?, b=15.575(3) ?, c=14.478(2) ?, β=94.61(2)°, and D
calc=1.118 g cm−3 for Z=2. 相似文献
18.
Ayesha Jacobs Luigi R. Nassimbeni Kanyisa L. Nohako Gaëlle Ramon Baganetsi K. Sebogisi 《Journal of chemical crystallography》2011,41(5):610-616
Abstract
The host compound 9,9′-(ethyne-1,2-diyl)-bis(fluoren-9-ol), H, forms inclusion compounds with caffeine (H·CAF) and methanol (H·MeOH). The host and guest ratios were 1:2 and 1:1, respectively. Both of these structures were successfully solved in P-1 with unit cell dimensions for H·CAF: a = 7.2121(14) ?, b = 9.2782(19) ?, c = 15.206(3) ?, α = 73.23(3)°, β = 84.20(3)°, γ = 73.39(3)°, Z = 2 and for H·MeOH : a = 9.7592(10) ?, b = 11.2584(11) ?, c = 20.7854(19) ?, α = 97.161(2)°, β = 99.263(2)°, γ = 95.257(2) ?, Z = 2. These crystal structures were studied together with that of a mixed clathrate, H·CAF·MeOH with stoichiometry 2:1:1.5. For H·CAF·MeOH which was solved in P21/c : a = 12.2051(5) ?, b = 46.8023(19) ?, c = 9.0121(4) ?, β = 91.9650(10)°, Z = 4. The kinetics of desolvation of the methanol solvate (H·MeOH) yielded an activation energy of 69.6–83.9 kJ mol−1. 相似文献19.
Abstract
N-(2,6-difluorobenzoyl)-N′-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea, 3, has been synthesized by reaction of 2-amino-5-(pyrid-4-yl)-1,3,4-thiadiazole with 2,6-difluorobenzoyl isocyanate, and its
structure was characterized with X-ray crystallographic, NMR, MS and IR techniques. It crystallizes in the triclinic space
group P − 1, with a = 7.0821(9) ?, b = 9.4896(13) ?, c = 11.6594(15) ?, α = 82.311(2)°, β = 82.328(2)°, and γ = 87.641(2)°. In the title compound, the urea scaffold in each molecule is essentially planar due to the presence of intramolecular
N–H···O hydrogen bond. The molecules are linked by intermolecular complementary N–H···O hydrogen bonds into centrosymmetric
R
22(8) dimers. Intermolecular π–π stacking interactions are also present. The preliminary bioassay shows that the title compound exhibits excellent fungicidal
activities against Rhizoctonia solani, Botrytis cinerea and Dothiorella gregaria.
Index Abstract
N-(2,6-difluorobenzoyl)-N′-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea has been synthesized and characterized with X-ray crystallographic, NMR, MS and IR techniques.
The preliminary bioassay shows that the title compound exhibits excellent fungicidal activities.
相似文献
20.
Christina Zalaru Mino R. Caira Mircea Iovu Elena Cristea 《Journal of chemical crystallography》2007,37(9):623-628
Abstract X-ray structures of three pharmacologically active lidocaine analogs, containing a common, substituted pyrazole moiety as
the basic residue and variously substituted phenyl rings as the hydrophobic residue, have been determined. This isomeric series
comprises 2-(3,5-dimethyl-pyrazol-1-yl)-2′-methylacetanilide (1), 2-(3,5-dimethyl-pyrazol-1-yl)-3′-methylacetanilide monohydrate (2), and 2-(3,5-dimethyl-pyrazol-1-yl)-4′-methylacetanilide (3). Crystal data are 1: space group P2
1
/c with a = 4.7617(2), b = 11.5638(4), c = 23.603(1) ?, β = 90.736(2)°, Z = 4; 2: P2
1
/c with a = 4.7260(1), b = 13.7001(4), c = 21.7006(6) ?, β = 93.425(1)°, Z = 4; 3: P2
1
/n with a = 6.4103(3), b = 24.584(1), c = 8.4449(4) ?, β = 100.273(3)°, Z = 4. In 1–3, the amide bond is trans-planar but the basic and hydrophobic residues adopt different orientations relative to this plane. Hydrogen bonding in 1 and 3 is based on C(4) linear arrays whereas in the monohydrate 2, the presence of water gives rise to R
4
4
(16) ring motifs. A summary of the local anesthetic and anti-arrhythmic properties of 1–3 is provided.
Graphical abstract
X-ray Structures of Pharmacologically Active 2-(3,5-Dimethyl-pyrazol-1-yl)-methylacetanilides
Christina Zalaru, Mino R. Caira, Mircea Iovu, and Elena Cristea
The title compounds are lidocaine analogs that display local anesthetic and anti-arrhythmic activities. X-ray analyses revealed
a range of solid-state conformations among these isomeric compounds as well as variation in hydrogen bonding schemes, namely
C(4) (R = o-, p-CH3) and R44(16) (R = m-CH3, monohydrate crystal).
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